Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30991
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D NOESY' . . . 30991 1
2 '2D TOCSY' . . . 30991 1
3 '2D 1H-13C HSQC' . . . 30991 1
4 '2D 1H-15N HSQC' . . . 30991 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 . 1 1 1 SER HA H 1 4.237 0.002 . 1 . . . . A 1 SER HA . 30991 1
2 . 1 . 1 1 1 SER HB2 H 1 4.006 0.002 . 1 . . . . A 1 SER HB2 . 30991 1
3 . 1 . 1 1 1 SER HB3 H 1 4.006 0.002 . 1 . . . . A 1 SER HB3 . 30991 1
4 . 1 . 1 1 1 SER CA C 13 57.396 0.000 . 1 . . . . A 1 SER CA . 30991 1
5 . 1 . 1 1 1 SER CB C 13 63.197 0.000 . 1 . . . . A 1 SER CB . 30991 1
6 . 1 . 1 2 2 THR H H 1 8.745 0.005 . 1 . . . . A 2 THR H . 30991 1
7 . 1 . 1 2 2 THR HA H 1 4.418 0.006 . 1 . . . . A 2 THR HA . 30991 1
8 . 1 . 1 2 2 THR HB H 1 4.182 0.004 . 1 . . . . A 2 THR HB . 30991 1
9 . 1 . 1 2 2 THR HG21 H 1 1.251 0.006 . 1 . . . . A 2 THR HG21 . 30991 1
10 . 1 . 1 2 2 THR HG22 H 1 1.251 0.006 . 1 . . . . A 2 THR HG22 . 30991 1
11 . 1 . 1 2 2 THR HG23 H 1 1.251 0.006 . 1 . . . . A 2 THR HG23 . 30991 1
12 . 1 . 1 2 2 THR CA C 13 62.186 0.013 . 1 . . . . A 2 THR CA . 30991 1
13 . 1 . 1 2 2 THR CB C 13 70.108 0.023 . 1 . . . . A 2 THR CB . 30991 1
14 . 1 . 1 2 2 THR CG2 C 13 22.124 0.027 . 1 . . . . A 2 THR CG2 . 30991 1
15 . 1 . 1 2 2 THR N N 15 115.964 0.000 . 1 . . . . A 2 THR N . 30991 1
16 . 1 . 1 3 3 CYS H H 1 8.739 0.009 . 1 . . . . A 3 CYS H . 30991 1
17 . 1 . 1 3 3 CYS HA H 1 4.834 0.004 . 1 . . . . A 3 CYS HA . 30991 1
18 . 1 . 1 3 3 CYS HB2 H 1 3.041 0.011 . 2 . . . . A 3 CYS HB2 . 30991 1
19 . 1 . 1 3 3 CYS HB3 H 1 3.231 0.007 . 2 . . . . A 3 CYS HB3 . 30991 1
20 . 1 . 1 3 3 CYS CA C 13 55.211 0.066 . 1 . . . . A 3 CYS CA . 30991 1
21 . 1 . 1 3 3 CYS CB C 13 43.976 0.067 . 1 . . . . A 3 CYS CB . 30991 1
22 . 1 . 1 3 3 CYS N N 15 121.946 0.000 . 1 . . . . A 3 CYS N . 30991 1
23 . 1 . 1 4 4 CYS H H 1 9.205 0.003 . 1 . . . . A 4 CYS H . 30991 1
24 . 1 . 1 4 4 CYS HA H 1 4.907 0.002 . 1 . . . . A 4 CYS HA . 30991 1
25 . 1 . 1 4 4 CYS HB2 H 1 2.881 0.004 . 2 . . . . A 4 CYS HB2 . 30991 1
26 . 1 . 1 4 4 CYS HB3 H 1 3.253 0.007 . 2 . . . . A 4 CYS HB3 . 30991 1
27 . 1 . 1 4 4 CYS CA C 13 60.163 0.000 . 1 . . . . A 4 CYS CA . 30991 1
28 . 1 . 1 4 4 CYS CB C 13 43.355 0.066 . 1 . . . . A 4 CYS CB . 30991 1
29 . 1 . 1 4 4 CYS N N 15 123.304 0.000 . 1 . . . . A 4 CYS N . 30991 1
30 . 1 . 1 5 5 GLY H H 1 8.342 0.002 . 1 . . . . A 5 GLY H . 30991 1
31 . 1 . 1 5 5 GLY HA2 H 1 3.642 0.003 . 2 . . . . A 5 GLY HA2 . 30991 1
32 . 1 . 1 5 5 GLY HA3 H 1 4.509 0.007 . 2 . . . . A 5 GLY HA3 . 30991 1
33 . 1 . 1 5 5 GLY CA C 13 44.229 0.021 . 1 . . . . A 5 GLY CA . 30991 1
34 . 1 . 1 5 5 GLY N N 15 108.118 0.000 . 1 . . . . A 5 GLY N . 30991 1
35 . 1 . 1 6 6 TYR H H 1 8.521 0.002 . 1 . . . . A 6 TYR H . 30991 1
36 . 1 . 1 6 6 TYR HA H 1 4.677 0.003 . 1 . . . . A 6 TYR HA . 30991 1
37 . 1 . 1 6 6 TYR HB2 H 1 2.995 0.004 . 1 . . . . A 6 TYR HB2 . 30991 1
38 . 1 . 1 6 6 TYR HB3 H 1 2.995 0.004 . 1 . . . . A 6 TYR HB3 . 30991 1
39 . 1 . 1 6 6 TYR HD1 H 1 7.162 0.003 . 1 . . . . A 6 TYR HD1 . 30991 1
40 . 1 . 1 6 6 TYR HD2 H 1 7.162 0.003 . 1 . . . . A 6 TYR HD2 . 30991 1
41 . 1 . 1 6 6 TYR HE1 H 1 6.841 0.005 . 1 . . . . A 6 TYR HE1 . 30991 1
42 . 1 . 1 6 6 TYR HE2 H 1 6.841 0.005 . 1 . . . . A 6 TYR HE2 . 30991 1
43 . 1 . 1 6 6 TYR CA C 13 58.136 0.023 . 1 . . . . A 6 TYR CA . 30991 1
44 . 1 . 1 6 6 TYR CB C 13 38.759 0.069 . 1 . . . . A 6 TYR CB . 30991 1
45 . 1 . 1 6 6 TYR CD1 C 13 133.366 0.097 . 1 . . . . A 6 TYR CD1 . 30991 1
46 . 1 . 1 6 6 TYR CD2 C 13 133.366 0.097 . 1 . . . . A 6 TYR CD2 . 30991 1
47 . 1 . 1 6 6 TYR CE1 C 13 118.280 0.043 . 1 . . . . A 6 TYR CE1 . 30991 1
48 . 1 . 1 6 6 TYR CE2 C 13 118.280 0.043 . 1 . . . . A 6 TYR CE2 . 30991 1
49 . 1 . 1 6 6 TYR N N 15 120.936 0.000 . 1 . . . . A 6 TYR N . 30991 1
50 . 1 . 1 7 7 ARG H H 1 8.740 0.002 . 1 . . . . A 7 ARG H . 30991 1
51 . 1 . 1 7 7 ARG HA H 1 3.844 0.005 . 1 . . . . A 7 ARG HA . 30991 1
52 . 1 . 1 7 7 ARG HB2 H 1 1.669 0.005 . 2 . . . . A 7 ARG HB2 . 30991 1
53 . 1 . 1 7 7 ARG HB3 H 1 1.811 0.009 . 2 . . . . A 7 ARG HB3 . 30991 1
54 . 1 . 1 7 7 ARG HG2 H 1 0.979 0.009 . 2 . . . . A 7 ARG HG2 . 30991 1
55 . 1 . 1 7 7 ARG HG3 H 1 1.199 0.006 . 2 . . . . A 7 ARG HG3 . 30991 1
56 . 1 . 1 7 7 ARG HD2 H 1 3.023 0.008 . 1 . . . . A 7 ARG HD2 . 30991 1
57 . 1 . 1 7 7 ARG HD3 H 1 3.023 0.008 . 1 . . . . A 7 ARG HD3 . 30991 1
58 . 1 . 1 7 7 ARG HE H 1 7.093 0.003 . 1 . . . . A 7 ARG HE . 30991 1
59 . 1 . 1 7 7 ARG HH11 H 1 6.469 0.006 . 1 . . . . A 7 ARG HH11 . 30991 1
60 . 1 . 1 7 7 ARG HH12 H 1 6.892 0.007 . 1 . . . . A 7 ARG HH12 . 30991 1
61 . 1 . 1 7 7 ARG CA C 13 57.789 0.053 . 1 . . . . A 7 ARG CA . 30991 1
62 . 1 . 1 7 7 ARG CB C 13 28.773 0.000 . 1 . . . . A 7 ARG CB . 30991 1
63 . 1 . 1 7 7 ARG CG C 13 27.239 0.054 . 1 . . . . A 7 ARG CG . 30991 1
64 . 1 . 1 7 7 ARG CD C 13 43.377 0.025 . 1 . . . . A 7 ARG CD . 30991 1
65 . 1 . 1 7 7 ARG N N 15 122.097 0.000 . 1 . . . . A 7 ARG N . 30991 1
66 . 1 . 1 8 8 MET H H 1 7.654 0.002 . 1 . . . . A 8 MET H . 30991 1
67 . 1 . 1 8 8 MET HA H 1 4.469 0.003 . 1 . . . . A 8 MET HA . 30991 1
68 . 1 . 1 8 8 MET HB2 H 1 2.125 0.006 . 2 . . . . A 8 MET HB2 . 30991 1
69 . 1 . 1 8 8 MET HB3 H 1 1.917 0.005 . 2 . . . . A 8 MET HB3 . 30991 1
70 . 1 . 1 8 8 MET HG2 H 1 2.413 0.004 . 1 . . . . A 8 MET HG2 . 30991 1
71 . 1 . 1 8 8 MET HG3 H 1 2.413 0.004 . 1 . . . . A 8 MET HG3 . 30991 1
72 . 1 . 1 8 8 MET HE1 H 1 2.097 0.006 . 1 . . . . A 8 MET HE1 . 30991 1
73 . 1 . 1 8 8 MET HE2 H 1 2.097 0.006 . 1 . . . . A 8 MET HE2 . 30991 1
74 . 1 . 1 8 8 MET HE3 H 1 2.097 0.006 . 1 . . . . A 8 MET HE3 . 30991 1
75 . 1 . 1 8 8 MET CA C 13 54.724 0.053 . 1 . . . . A 8 MET CA . 30991 1
76 . 1 . 1 8 8 MET CB C 13 34.073 0.097 . 1 . . . . A 8 MET CB . 30991 1
77 . 1 . 1 8 8 MET CG C 13 30.810 0.059 . 1 . . . . A 8 MET CG . 30991 1
78 . 1 . 1 8 8 MET CE C 13 16.834 0.063 . 1 . . . . A 8 MET CE . 30991 1
79 . 1 . 1 8 8 MET N N 15 116.000 0.000 . 1 . . . . A 8 MET N . 30991 1
80 . 1 . 1 9 9 CYS H H 1 8.784 0.002 . 1 . . . . A 9 CYS H . 30991 1
81 . 1 . 1 9 9 CYS HA H 1 4.806 0.002 . 1 . . . . A 9 CYS HA . 30991 1
82 . 1 . 1 9 9 CYS HB2 H 1 2.847 0.004 . 2 . . . . A 9 CYS HB2 . 30991 1
83 . 1 . 1 9 9 CYS HB3 H 1 3.406 0.005 . 2 . . . . A 9 CYS HB3 . 30991 1
84 . 1 . 1 9 9 CYS CA C 13 57.321 0.029 . 1 . . . . A 9 CYS CA . 30991 1
85 . 1 . 1 9 9 CYS CB C 13 44.426 0.072 . 1 . . . . A 9 CYS CB . 30991 1
86 . 1 . 1 9 9 CYS N N 15 122.141 0.000 . 1 . . . . A 9 CYS N . 30991 1
87 . 1 . 1 10 10 VAL H H 1 8.768 0.004 . 1 . . . . A 10 VAL H . 30991 1
88 . 1 . 1 10 10 VAL HA H 1 4.741 0.005 . 1 . . . . A 10 VAL HA . 30991 1
89 . 1 . 1 10 10 VAL HB H 1 2.170 0.007 . 1 . . . . A 10 VAL HB . 30991 1
90 . 1 . 1 10 10 VAL HG11 H 1 0.799 0.002 . 2 . . . . A 10 VAL HG11 . 30991 1
91 . 1 . 1 10 10 VAL HG12 H 1 0.799 0.002 . 2 . . . . A 10 VAL HG12 . 30991 1
92 . 1 . 1 10 10 VAL HG13 H 1 0.799 0.002 . 2 . . . . A 10 VAL HG13 . 30991 1
93 . 1 . 1 10 10 VAL HG21 H 1 0.956 0.003 . 2 . . . . A 10 VAL HG21 . 30991 1
94 . 1 . 1 10 10 VAL HG22 H 1 0.956 0.003 . 2 . . . . A 10 VAL HG22 . 30991 1
95 . 1 . 1 10 10 VAL HG23 H 1 0.956 0.003 . 2 . . . . A 10 VAL HG23 . 30991 1
96 . 1 . 1 10 10 VAL CA C 13 59.031 0.057 . 1 . . . . A 10 VAL CA . 30991 1
97 . 1 . 1 10 10 VAL CB C 13 32.771 0.105 . 1 . . . . A 10 VAL CB . 30991 1
98 . 1 . 1 10 10 VAL CG1 C 13 19.245 0.082 . 2 . . . . A 10 VAL CG1 . 30991 1
99 . 1 . 1 10 10 VAL CG2 C 13 21.604 0.074 . 2 . . . . A 10 VAL CG2 . 30991 1
100 . 1 . 1 10 10 VAL N N 15 125.380 0.000 . 1 . . . . A 10 VAL N . 30991 1
101 . 1 . 1 11 11 PRO HA H 1 4.532 0.004 . 1 . . . . A 11 PRO HA . 30991 1
102 . 1 . 1 11 11 PRO HB2 H 1 1.851 0.005 . 2 . . . . A 11 PRO HB2 . 30991 1
103 . 1 . 1 11 11 PRO HB3 H 1 2.380 0.003 . 2 . . . . A 11 PRO HB3 . 30991 1
104 . 1 . 1 11 11 PRO HG2 H 1 2.141 0.004 . 2 . . . . A 11 PRO HG2 . 30991 1
105 . 1 . 1 11 11 PRO HG3 H 1 1.992 0.005 . 2 . . . . A 11 PRO HG3 . 30991 1
106 . 1 . 1 11 11 PRO HD2 H 1 3.642 0.005 . 2 . . . . A 11 PRO HD2 . 30991 1
107 . 1 . 1 11 11 PRO HD3 H 1 3.894 0.004 . 2 . . . . A 11 PRO HD3 . 30991 1
108 . 1 . 1 11 11 PRO CA C 13 63.617 0.072 . 1 . . . . A 11 PRO CA . 30991 1
109 . 1 . 1 11 11 PRO CB C 13 31.903 0.081 . 1 . . . . A 11 PRO CB . 30991 1
110 . 1 . 1 11 11 PRO CG C 13 28.215 0.087 . 1 . . . . A 11 PRO CG . 30991 1
111 . 1 . 1 11 11 PRO CD C 13 50.901 0.099 . 1 . . . . A 11 PRO CD . 30991 1
112 . 1 . 1 12 12 CYS H H 1 8.918 0.002 . 1 . . . . A 12 CYS H . 30991 1
113 . 1 . 1 12 12 CYS HA H 1 4.498 0.004 . 1 . . . . A 12 CYS HA . 30991 1
114 . 1 . 1 12 12 CYS HB2 H 1 2.889 0.002 . 2 . . . . A 12 CYS HB2 . 30991 1
115 . 1 . 1 12 12 CYS HB3 H 1 3.189 0.005 . 2 . . . . A 12 CYS HB3 . 30991 1
116 . 1 . 1 12 12 CYS CA C 13 55.258 0.032 . 1 . . . . A 12 CYS CA . 30991 1
117 . 1 . 1 12 12 CYS CB C 13 43.284 0.082 . 1 . . . . A 12 CYS CB . 30991 1
118 . 1 . 1 12 12 CYS N N 15 122.819 0.000 . 1 . . . . A 12 CYS N . 30991 1
119 . 1 . 1 13 13 NH2 N N 15 108.178 0.016 . 1 . . . . A 13 NH2 N . 30991 1
120 . 1 . 1 13 13 NH2 HN1 H 1 7.362 0.002 . 1 . . . . A 13 NH2 HN1 . 30991 1
121 . 1 . 1 13 13 NH2 HN2 H 1 7.835 0.001 . 1 . . . . A 13 NH2 HN2 . 30991 1
stop_
save_